3-{[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V014-7337 |
| Compound Name: | 3-{[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 522.57 |
| Molecular Formula: | C23 H23 F N2 O7 S2 |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2504 |
| logD: | 5.2504 |
| logSw: | -5.2918 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.757 |
| InChI Key: | QJKRRQMTGQSAJN-UHFFFAOYSA-N |